Adaptability of AI for safety evaluation in regulatory science: A case study of drug-induced liver injury

Abstract

Artificial intelligence (AI) has played a crucial role in advancing biomedical sciences but has yet to have the impact it merits in regulatory science. As the field advances, in silico and in vitro approaches have been evaluated as alternatives to animal studies, in a drive to identify and mitigate safety concerns earlier in the drug development process. Although many AI tools are available, their acceptance in regulatory decision-making for drug efficacy and safety evaluation is still a challenge. It is a common perception that an AI model improves with more data, but does reality reflect this perception in drug safety assessments? Importantly, a model aiming at regulatory application needs to take a broad range of model characteristics into consideration. Among them is adaptability, defined as the adaptive behavior of a model as it is retrained on unseen data. This is an important model characteristic which should be considered in regulatory applications. In this study, we set up a comprehensive study to assess adaptability in AI by mimicking the real-world scenario of the annual addition of new drugs to the market, using a model we previously developed known as DeepDILI for predicting drug-induced liver injury (DILI) with a novel Deep Learning method. We found that the target test set plays a major role in assessing the adaptive behavior of our model. Our findings also indicated that adding more drugs to the training set does not significantly affect the predictive performance of our adaptive model. We concluded that the proposed adaptability assessment framework has utility in the evaluation of the performance of a model over time.

BioMedInformatics, the Link between Biomedical Informatics, Biology and Computational Medicine

“…Like all fields, drug discovery is also affected by deep learning [23]. Therefore, Matsuzaka and Yashiro have made a short and instructive review to outline the knowledge on the applications of deep learning for drug discovery systems with big data [24].…”

Learning channel-selective and aberrance repressed correlation filter with memory model for unmanned aerial vehicle object tracking

“…In turn, the information serves as prior knowledge, helping people in dealing with similar problems better and adapting to new complex scenes faster. The core of artificial intelligence (AI) is to enable the machine to complete specific tasks independently through learning and using prior information (Connor et al, 2022 ; Foksinska et al, 2022 ; Nofallah et al, 2022 ; Pfeifer et al, 2022 ; Wang et al, 2022 ). The original scientific research mainly adopts the following two methods.…”